ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V012-0354 |
| Compound Name: | ethyl 2-{[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 480.41 |
| Molecular Formula: | C22 H23 Cl2 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccc(cc2)OC)n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8137 |
| logD: | 6.8137 |
| logSw: | -6.5145 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.282 |
| InChI Key: | QFXKZMVQBPMRAJ-IBGZPJMESA-N |